Vitas-M small molecule compound
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK897618
SMILES OC(=O)CCSc1nc2c(n1CCc1ccccc1)n(C)c(=O)n(c2=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-20-15-14(16(25)21(2)18(20)26)19-17(27-11-9-13(23)24)22(15)10-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,23,24)InChIKey
BIKMWBBGMGJFJN-UHFFFAOYSA-NSynonyms
3((13dimethyl26dioxo9(2phenylethyl)2369tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3(13dimethyl26dioxo9(2phenylethyl)purin8yl)sulfanylpropanoicacid
CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCC3=CC=CC=C3)SCCC(=O)O
InChI=1SC18H20N4O4Sc1201514(16(25)21(2)18(20)26)1917(2711913(23)24)22(15)108126435712h37H811H212H3(H2324)
MFCD15147728
ZINC000033274166
ZINC33274166
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